Vitas-M small molecule compound
ethyl 3-({[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetyl}amino)-3-(4-methoxyphenyl)propanoate
Catalog ID
STL386572
SMILES CCOC(=O)CC(c1ccc(cc1)OC)NC(=O)CSc1nc(N)c(cc1C#N)C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-3-30-19(28)9-17(13-4-6-16(29-2)7-5-13)25-18(27)12-31-21-15(11-23)8-14(10-22)20(24)26-21/h4-8,17H,3,9,12H2,1-2H3,(H2,24,26)(H,25,27)InChIKey
ZTLZEBKMDNWGMV-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N
ethyl3((((6amino35dicyanopyridin2yl)sulfanyl)acetyl)amino)3(4methoxyphenyl)propanoate
ethyl3((2(6amino35dicyanopyridin2yl)sulfanylacetyl)amino)3(4methoxyphenyl)propanoate
InChI=1SC21H21N5O4Sc133019(28)917(134616(292)7513)2518(27)12312115(1123)814(1022)20(24)2621h4817H3912H212H3(H22426)(H2527)
MFCD28165800
ZINC000098087227
ZINC000098087228
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